(E)-1-phenyl-N-[(E)-1-phenylpropylideneamino]propan-1-imine

C18H20N2 — CID 7114816

IUPAC(E)-1-phenyl-N-[(E)-1-phenylpropylideneamino]propan-1-imine
SMILESCC/C(=N\N=C(/CC)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20N2/c1-3-17(15-11-7-5-8-12-15)19-20-18(4-2)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3/b19-17+,20-18+
InChIKeyJMKGPKGBCMUXSU-XPWSMXQVSA-N
MW264.37 g/mol
LogP4.70
Rot. Bonds5

About (E)-1-phenyl-N-[(E)-1-phenylpropylideneamino]propan-1-imine

(E)-1-phenyl-N-[(E)-1-phenylpropylideneamino]propan-1-imine (PubChem CID 7114816) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is (E)-1-phenyl-N-[(E)-1-phenylpropylideneamino]propan-1-imine.

Molecular Properties

Compound Name(E)-1-phenyl-N-[(E)-1-phenylpropylideneamino]propan-1-imine
PubChem CID7114816
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name(E)-1-phenyl-N-[(E)-1-phenylpropylideneamino]propan-1-imine
SMILESCC/C(=N\N=C(/CC)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20N2/c1-3-17(15-11-7-5-8-12-15)19-20-18(4-2)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3/b19-17+,20-18+
InChIKeyJMKGPKGBCMUXSU-XPWSMXQVSA-N
XLogP4.70
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-phenyl-N-[(E)-1-phenylpropylideneamino]propan-1-imine?
The IUPAC name of (E)-1-phenyl-N-[(E)-1-phenylpropylideneamino]propan-1-imine (CID 7114816) is (E)-1-phenyl-N-[(E)-1-phenylpropylideneamino]propan-1-imine.
What is the SMILES notation for (E)-1-phenyl-N-[(E)-1-phenylpropylideneamino]propan-1-imine?
The canonical SMILES for (E)-1-phenyl-N-[(E)-1-phenylpropylideneamino]propan-1-imine is CC/C(=N\N=C(/CC)c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-1-phenyl-N-[(E)-1-phenylpropylideneamino]propan-1-imine?
The InChIKey is JMKGPKGBCMUXSU-XPWSMXQVSA-N. The full InChI is InChI=1S/C18H20N2/c1-3-17(15-11-7-5-8-12-15)19-20-18(4-2)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3/b19-17+,20-18+.
What are the key properties of (E)-1-phenyl-N-[(E)-1-phenylpropylideneamino]propan-1-imine?
(E)-1-phenyl-N-[(E)-1-phenylpropylideneamino]propan-1-imine has a molecular weight of 264.37 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-phenyl-N-[(E)-1-phenylpropylideneamino]propan-1-imine is sourced from PubChem (CID 7114816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).